Mol:FL5FFCNI0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0741 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0741 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0741 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0741 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5178 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5178 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0385 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0385 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0385 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0385 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5178 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5178 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5948 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5948 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1511 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1511 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1511 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1511 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5948 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5948 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5948 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5948 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7072 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7072 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2742 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2742 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8412 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8412 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8412 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8412 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2742 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2742 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7072 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7072 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5178 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5178 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4638 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4638 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8486 0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8486 0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4638 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4638 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6302 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6302 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1851 0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1851 0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7400 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7400 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2949 0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2949 0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8486 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8486 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2949 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2949 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0171 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0171 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8831 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8831 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2397 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2397 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1969 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1969 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 8 28 1 0 0 0 0 | + | 8 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 6 30 1 0 0 0 0 | + | 6 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 30 31 | + | M SAL 2 2 30 31 |
| − | M SBL 2 1 33 | + | M SBL 2 1 33 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 33 -0.2397 1.0455 | + | M SVB 2 33 -0.2397 1.0455 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 28 29 | + | M SAL 1 2 28 29 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 1.3614 -0.6761 | + | M SVB 1 31 1.3614 -0.6761 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCNI0006 | + | ID FL5FFCNI0006 |
| − | KNApSAcK_ID C00005057 | + | KNApSAcK_ID C00005057 |
| − | NAME 5-Hydroxy-3,8-dimethoxy-3',4'-methylenedioxy-7-prenyloxyflavone | + | NAME 5-Hydroxy-3,8-dimethoxy-3',4'-methylenedioxy-7-prenyloxyflavone |
| − | CAS_RN 132550-33-5 | + | CAS_RN 132550-33-5 |
| − | FORMULA C23H22O8 | + | FORMULA C23H22O8 |
| − | EXACTMASS 426.13146768 | + | EXACTMASS 426.13146768 |
| − | AVERAGEMASS 426.41598000000005 | + | AVERAGEMASS 426.41598000000005 |
| − | SMILES O=C(c34)C(=C(Oc3c(OC)c(cc(O)4)OCC=C(C)C)c(c2)ccc(c21)OCO1)OC | + | SMILES O=C(c34)C(=C(Oc3c(OC)c(cc(O)4)OCC=C(C)C)c(c2)ccc(c21)OCO1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.0741 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0741 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5178 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0385 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0385 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5178 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5948 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1511 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1511 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5948 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5948 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7072 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2742 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8412 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8412 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2742 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7072 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5178 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4638 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8486 0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4638 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6302 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1851 0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7400 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2949 0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8486 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2949 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0171 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8831 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2397 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1969 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
8 28 1 0 0 0 0
28 29 1 0 0 0 0
6 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 30 31
M SBL 2 1 33
M SMT 2 OCH3
M SVB 2 33 -0.2397 1.0455
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 1.3614 -0.6761
S SKP 8
ID FL5FFCNI0006
KNApSAcK_ID C00005057
NAME 5-Hydroxy-3,8-dimethoxy-3',4'-methylenedioxy-7-prenyloxyflavone
CAS_RN 132550-33-5
FORMULA C23H22O8
EXACTMASS 426.13146768
AVERAGEMASS 426.41598000000005
SMILES O=C(c34)C(=C(Oc3c(OC)c(cc(O)4)OCC=C(C)C)c(c2)ccc(c21)OCO1)OC
M END
